Indomethacin


Indomethacin
DEDuCT identifierDED000059
Pubchem identifier3715
CAS identifier53-86-1
IUPAC nameIndomethacin
Category based on type of supporting evidenceCategory IV
Broad category based on environmental sourceMedicine and Healthcare, Pollutant
Sub-category based on environmental sourceDrugs and Pharmaceuticals, Environmental Pollutant
Chemical kingdomOrganic compounds
Chemical super-classOrganoheterocyclic compounds
Chemical classIndoles and derivatives
SMILESCC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
InChIInChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyCGIGDMFJXJATDK-UHFFFAOYSA-N

Download structure:
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT

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